Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03303"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"D-2-Keto-3-Deoxygluconate"
|
| drugbank:description |
"
experimental
This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
Sugar Acids and Derivatives
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Sugar Acids and Derivatives
Hexoses
Medium-chain Hydroxy Acids and Derivatives
Alpha Hydroxy Acids and Derivatives
Fatty Acids and Conjugates
Secondary Alcohols
1,2-Diols
Carboxylic Acids
Enolates
Polyamines
Primary Alcohols
Aldehydes
hydroxy acid
alpha-hydroxy acid
monosaccharide
secondary alcohol
polyol
1,2-diol
polyamine
primary alcohol
enolate
carboxylic acid derivative
carboxylic acid
alcohol
aldehyde
logP
-2.5
ALOGPS
logS
0.15
ALOGPS
Water Solubility
2.55e+02 g/l
ALOGPS
logP
-2.7
ChemAxon
IUPAC Name
(2S,4S,5S)-2,4,5,6-tetrahydroxyhexanoic acid
ChemAxon
Traditional IUPAC Name
D-2-keto-3-deoxygluconate
ChemAxon
Molecular Weight
180.1559
ChemAxon
Monoisotopic Weight
180.063388116
ChemAxon
SMILES
OC[C@H](O)[C@@H](O)C[C@H](O)C(O)=O
ChemAxon
Molecular Formula
C6H12O6
ChemAxon
InChI
InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5-/m0/s1
ChemAxon
InChIKey
InChIKey=YGMNHEPVTNXLLS-YUPRTTJUSA-N
ChemAxon
Polar Surface Area (PSA)
118.22
ChemAxon
Refractivity
37.17
ChemAxon
Polarizability
16.49
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
3.57
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
21596768
PubChem Substance
46506854
PDB
SSH
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object